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Endo-3-methylbicyclo[2.2.2]oct-5-ene-exo-2-carboxylic acid

View entire compound with spectra: 3 NMR, 1 FTIR, and 1 MS (GC)

Endo-3-methylbicyclo[2.2.2]oct-5-ene-exo-2-carboxylic acid
SpectraBase Compound ID 49BAT2l8OHr
InChI InChI=1S/C10H14O2/c1-6-7-2-4-8(5-3-7)9(6)10(11)12/h2,4,6-9H,3,5H2,1H3,(H,11,12)
InChIKey RWNFCBZFJNFTSA-UHFFFAOYSA-N
Mol Weight 166.22 g/mol
Molecular Formula C10H14O2
Exact Mass 166.09938 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 4HORha7jg1I
Name Endo-3-methylbicyclo[2.2.2]oct-5-ene-exo-2-carboxylic acid
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 166.099379689 u
Formula C10H14O2
InChI InChI=1S/C10H14O2/c1-6-7-2-4-8(5-3-7)9(6)10(11)12/h2,4,6-9H,3,5H2,1H3,(H,11,12)
InChIKey RWNFCBZFJNFTSA-UHFFFAOYSA-N
Molecular Weight 166.220 g/mol
SMILES C(=O)(O)C1C(C2C=CC1CC2)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.881172